SCHEMBL177935

SCHEMBL177935

CC(C)(C)c1ccnc(NC(=O)Nc2cccc3ccccc23)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.61
KDM4E B2RXH2 5/20 0.56
LMNA P02545 2/20 0.56
MAPT P10636 2/20 0.56
ALDH1A1 P00352 1/20 0.53
HPGD P15428 1/20 0.53
NLRP3 Q96P20 1/20 0.53
MAPK13 O15264 2/20 0.51
MAPK12 P53778 2/20 0.51
MAPK11 Q15759 2/20 0.51
POLB P06746 2/20 0.50
KMT2A Q03164 4/20 0.49
MEN1 O00255 2/20 0.49
DDR2 Q16832 1/20 0.49
USP2 O75604 1/20 0.49
RAB9A P51151 3/20 0.49
TRPV1 Q8NER1 1/20 0.48
NTRK1 P04629 1/20 0.47
NTRK3 Q16288 1/20 0.47
NPC1 O15118 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL177805 0.81 MAPK14 (0.62) MAPK14KDM4EKMT2AMEN1RAB9A
SCHEMBL178008 0.77 KDM4E (0.60) KDM4ELMNAMAPTALDH1A1HPGD
SCHEMBL13234409 0.77 MAPT (0.71) MAPK14KDM4ELMNAMAPTMAPK13
SCHEMBL12203066 0.76 GCK (0.54) MAPK14LMNAMAPTALDH1A1KMT2A
SCHEMBL3800344 0.76 GSK3A (0.74) KDM4ELMNAMAPTALDH1A1HPGD
SCHEMBL1276481 0.75 KDM4E (0.82) KDM4EMAPTALDH1A1POLBKMT2A
SCHEMBL30393282 0.75 KDM4E (0.82) KDM4EMAPTALDH1A1POLBKMT2A
SCHEMBL12203151 0.74 SMN1; SMN2 (0.49) KDM4ELMNAMAPTALDH1A1HPGD
SCHEMBL14700082 0.73 KDR (0.51) MAPK14MAPK13RAB9ANPC1
SCHEMBL14027385 0.73 KDM4E (0.66) KDM4ELMNAMAPTALDH1A1HPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2386545-A1 Heteroaryl ureas containing nitrogen hetero-atoms as P38 kinase inhibitors Bayer Healthcare LLC (US) 2011-11-16 EP claimed
JP-4359817-B2 2009-11-11 JP claimed
JP-2004537511-A 2004-12-16 JP claimed
EP-1379507-A1 HETEROARYL UREAS CONTAINING NITROGEN HETERO-ATOMS AS p38 KINASE INHIBITORS Bayer Corporation (US) 2004-01-14 EP claimed
WO-2002085859-A1 HETEROARYL UREAS CONTAINING NITROGEN HETERO-ATOMS AS p38 KINASE INHIBITORS BAYER CORPORATION (US) 2002-10-31 WO claimed
US-20020065296-A1 Heteroaryl ureas containing nitrogen hetero-atoms as p38 kinase inhibitors BAYER CORPORATION 2002-05-30 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020065296-A1 Heteroaryl ureas containing nitrogen hetero-atoms as p38 kinase inhibitors MAPK1, MAP3K1, MAPK3 MAPK14 43/4885KDM4E 3671/4885LMNA 3261/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.